smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)Cc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc([S-])n32)CS1	ZINC000017208593	558825862	/nfs/dbraw/zinc/82/58/62/558825862.db2.gz	QSKMHYATCFHTBM-UHFFFAOYSA-N	-1	1	400.554	3.952	10	0		HHAEMM
CCN(CC)c1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)c(C)c1	ZINC000020491846	568614744	/nfs/dbraw/zinc/61/47/44/568614744.db2.gz	BDPVCKVFBJUWOB-UHFFFAOYSA-N	-1	1	423.922	3.626	10	0		HHAEMM
O=C(NC1CC1)C1(c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1	ZINC000033274759	558764628	/nfs/dbraw/zinc/76/46/28/558764628.db2.gz	SJXYRHLKFMOVJT-UHFFFAOYSA-N	-1	1	408.882	3.590	10	0		HHAEMM
CC(C)OCCCn1c2nnc(-c3cc(Cl)ccc3[O-])n2c2ccccc2c1=O	ZINC000006781266	568459225	/nfs/dbraw/zinc/45/92/25/568459225.db2.gz	KFPPAUNJDJOYDJ-UHFFFAOYSA-N	-1	1	412.877	3.885	10	0		HHAEMM
Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)[N-]c2ccccc2F)c(C)n1C	ZINC000009685299	571279793	/nfs/dbraw/zinc/27/97/93/571279793.db2.gz	ZBFBNTDWFRRNSK-UHFFFAOYSA-N	-1	1	407.511	3.598	10	0		HHAEMM
COc1ccc([N-]S(=O)(=O)c2ccc3c4c2CC(=O)N4C[C@@H](C)S3)cc1Cl	ZINC000009430706	571258264	/nfs/dbraw/zinc/25/82/64/571258264.db2.gz	YSYZHLUYQJGZTE-SNVBAGLBSA-N	-1	1	424.931	3.533	10	0		HHAEMM
COc1cccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCC(C)C)CCC3)cc2)c1	ZINC000033277543	559040862	/nfs/dbraw/zinc/04/08/62/559040862.db2.gz	RWOSNECEFOLVRU-UHFFFAOYSA-N	-1	1	416.543	3.690	10	0		HHAEMM
CCN(CC)c1ncc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000064844053	569107846	/nfs/dbraw/zinc/10/78/46/569107846.db2.gz	LMYGVAIYIRTUKC-UHFFFAOYSA-N	-1	1	418.302	3.734	10	0		HHAEMM
Cc1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N(C)Cc2ccccc2)c1	ZINC000064843746	569107695	/nfs/dbraw/zinc/10/76/95/569107695.db2.gz	MLXAXXVCYZOGNU-UHFFFAOYSA-N	-1	1	411.483	3.525	10	0		HHAEMM
CCCCOC(=O)c1cc(-c2ccc(/C=C3/NC(=S)[N-]C3=O)o2)ccc1Cl	ZINC000034201468	560587484	/nfs/dbraw/zinc/58/74/84/560587484.db2.gz	HWXWNNQOYKARHH-XNTDXEJSSA-N	-1	1	404.875	3.902	10	0		HHAEMM
O=C([O-])c1cn[nH]c1[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1	ZINC000725240434	559056244	/nfs/dbraw/zinc/05/62/44/559056244.db2.gz	FWMFYNMUMBQTPA-CQSZACIVSA-N	-1	1	403.438	3.846	10	0		HHAEMM
Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1	ZINC000013997838	569258372	/nfs/dbraw/zinc/25/83/72/569258372.db2.gz	XJMVDHNTYKMGAR-UHFFFAOYSA-N	-1	1	406.463	3.905	10	0		HHAEMM
COCCOC(=O)[N-]C(=O)Nc1ccc(C(=O)c2ccc(Br)cc2)cc1	ZINC000020227753	558349632	/nfs/dbraw/zinc/34/96/32/558349632.db2.gz	BCJQZNSIABKCOS-UHFFFAOYSA-N	-1	1	421.247	3.585	10	0		HHAEMM
O=C([O-])c1cn[nH]c1[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1	ZINC000725240433	559056218	/nfs/dbraw/zinc/05/62/18/559056218.db2.gz	FWMFYNMUMBQTPA-AWEZNQCLSA-N	-1	1	403.438	3.846	10	0		HHAEMM
CCc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCCCCC2)cc1	ZINC000064843792	569107755	/nfs/dbraw/zinc/10/77/55/569107755.db2.gz	FNCOTILRKYNSRA-UHFFFAOYSA-N	-1	1	403.504	3.523	10	0		HHAEMM
COc1ccc([N-]S(=O)(=O)c2ccc3c4c2CC(=O)N4C[C@H](C)S3)cc1Cl	ZINC000009430707	571258236	/nfs/dbraw/zinc/25/82/36/571258236.db2.gz	YSYZHLUYQJGZTE-JTQLQIEISA-N	-1	1	424.931	3.533	10	0		HHAEMM